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"platforms/reference/vscode:/vscode.git/clone" did not exist on "27550631f116a3538653447666054e69105c7c75"
Commit f55a30ae authored by peastman's avatar peastman
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Fixed an incorrect sign

parent 94944787
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wrappers/python/simtk/openmm/app/internal/customgbforces.py
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...@@ -200,7 +200,7 @@ def _createEnergyTerms(force, SA, cutoff): ...@@ -200,7 +200,7 @@ def _createEnergyTerms(force, SA, cutoff):
force.addEnergyTerm("-138.935485*(1/soluteDielectric-1/solventDielectric)*q1*q2/f;" force.addEnergyTerm("-138.935485*(1/soluteDielectric-1/solventDielectric)*q1*q2/f;"
"f=sqrt(r^2+B1*B2*exp(-r^2/(4*B1*B2)))", CustomGBForce.ParticlePairNoExclusions) "f=sqrt(r^2+B1*B2*exp(-r^2/(4*B1*B2)))", CustomGBForce.ParticlePairNoExclusions)
else: else:
force.addEnergyTerm("-138.935485*(1/soluteDielectric-1/solventDielectric)*q1*q2*(1/"+str(cutoff)+"-1/f);" force.addEnergyTerm("-138.935485*(1/soluteDielectric-1/solventDielectric)*q1*q2*(1/f-"+str(1/cutoff)+");"
"f=sqrt(r^2+B1*B2*exp(-r^2/(4*B1*B2)))", CustomGBForce.ParticlePairNoExclusions) "f=sqrt(r^2+B1*B2*exp(-r^2/(4*B1*B2)))", CustomGBForce.ParticlePairNoExclusions)
""" """
......
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